CID 86294248

1638588-94-9

Structural Information

Molecular Formula
C17H22N4O
SMILES
CC(C)(C1=NN(C2=CC=CC=C21)C)NC(=O)C3[C@H]4[C@@H]3CNC4
InChI
InChI=1S/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14?
InChIKey
HKKUYICHOOHPHK-ONXXMXGDSA-N
Compound name
(1S,5R)-N-[2-(1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

298.17935 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 176.2
[M+Na]+ 321.16857 186.2
[M-H]- 297.17207 180.6
[M+NH4]+ 316.21317 187.7
[M+K]+ 337.14251 179.0
[M+H-H2O]+ 281.17661 169.4
[M+HCOO]- 343.17755 192.8
[M+CH3COO]- 357.19320 186.1
[M+Na-2H]- 319.15402 178.3
[M]+ 298.17880 178.8
[M]- 298.17990 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe